Benzoic acid,4-chloro-3,5-dinitro-, methyl ester

Modify Date: 2024-02-17 16:51:40

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure
Benzoic acid,4-chloro-3,5-dinitro-, methyl ester structure
Common Name Benzoic acid,4-chloro-3,5-dinitro-, methyl ester
CAS Number 2552-45-6 Molecular Weight 260.58800
Density 1.599g/cm3 Boiling Point 381.4ºC at 760mmHg
Molecular Formula C8H5ClN2O6 Melting Point N/A
MSDS N/A Flash Point 184.5ºC

 Names

Name methyl 4-chloro-3,5-dinitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.599g/cm3
Boiling Point 381.4ºC at 760mmHg
Molecular Formula C8H5ClN2O6
Molecular Weight 260.58800
Flash Point 184.5ºC
Exact Mass 259.98400
PSA 117.94000
LogP 2.98940
Vapour Pressure 5.09E-06mmHg at 25°C
Index of Refraction 1.603

 Synthetic Route

~89%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: The Upjohn Company Patent: US3993679 A1, 1976 ;

~99%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: AstraZeneca AB; NPS PHARMACEUTICALS Patent: US2007/32469 A1, 2007 ; Location in patent: Page/Page column 37-38 ; US 20070032469 A1

~95%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Budapesti Vegyimuvek Patent: US4806151 A1, 1989 ;

~77%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Benbow, John W.; Bernberg, Erin L.; Korda, Anna; Mead, Jan R. Antimicrobial Agents and Chemotherapy, 1998 , vol. 42, # 2 p. 339 - 343

~%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Ullmann Justus Liebigs Annalen der Chemie, 1909 , vol. 366, p. 89

~%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Cheng, Cliff C.; Shipps Jr., Gerald W.; Yang, Zhiwei; Sun, Binyuan; Kawahata, Noriyuki; Soucy, Kyle A.; Soriano, Aileen; Orth, Peter; Xiao, Li; Mann, Paul; Black, Todd Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 23 p. 6507 - 6514

~%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Borrows; Clayton; Hems Journal of the Chemical Society, 1949 , p. Spl. 185, 188

~%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Ullmann; Sane Chemische Berichte, 1911 , vol. 44, p. 3737

~%

Benzoic acid,4-chloro-3,5-dinitro-, methyl ester Structure

Benzoic acid,4-...

CAS#:2552-45-6

Literature: Manka, Jason T.; Guo, Fengli; Huang, Jianping; Yin, Huiyong; Farrar, John M.; Sienkowska, Monika; Benin, Vladimir; Kaszynski, Piotr Journal of Organic Chemistry, 2003 , vol. 68, # 25 p. 9574 - 9588

 Synonyms

Benzoic acid,4-chloro-3,5-dinitro-,methyl ester
methyl 4-chloro-3,5-dinitro benzoate
4-chloro-3,5-dinitrobenzoic acid methyl ester
4-Chlor-3,5-dinitro-benzoesaeure-methylester